N-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide

C21H20ClN5O3 — CID 123153716

IUPACN-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
SMILESCC(CO)NCc1cnc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C21H20ClN5O3/c1-12(11-28)23-9-13-7-17-20(24-10-13)27-19(26-17)15-8-14(4-5-16(15)22)25-21(29)18-3-2-6-30-18/h2-8,10,12,23,28H,9,11H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyFEYVCVUXMWBRHS-UHFFFAOYSA-N
MW425.88 g/mol
LogP3.59
Rot. Bonds7

About N-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide

N-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (PubChem CID 123153716) has the molecular formula C21H20ClN5O3 and a molecular weight of 425.88 g/mol. Its IUPAC name is N-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
PubChem CID123153716
Molecular FormulaC21H20ClN5O3
Molecular Weight425.88 g/mol
Exact Mass425.13
IUPAC NameN-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
SMILESCC(CO)NCc1cnc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C21H20ClN5O3/c1-12(11-28)23-9-13-7-17-20(24-10-13)27-19(26-17)15-8-14(4-5-16(15)22)25-21(29)18-3-2-6-30-18/h2-8,10,12,23,28H,9,11H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyFEYVCVUXMWBRHS-UHFFFAOYSA-N
XLogP3.59
TPSA116.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 90457383
N-[4-chloro-3-[6-(2,6-dimethyl-4-pyridinyl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 85472746
N-[2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-5-methyl-1,3-thiazole-2-carboxamide
CID 90412056
N-[3-[6-[4-(carbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]furan-2-carboxamide
CID 85472624
N-[4-chloro-3-[6-[2-fluoro-6-(2-methoxyethoxy)-3-pyridinyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 85473113
N-[4-chloro-3-[6-[4-(cyclopropylcarbamoylamino)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 85472876
N-[4-chloro-3-[6-[2-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 85472229
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide
CID 90403734
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide
CID 85471839
propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 90404079
[2-[2-chloro-5-[(5-fluorofuran-2-carbonyl)amino]phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]-propan-2-ylcarbamic acid
CID 90411352
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 90403536

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide (CID 123153716) is N-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is CC(CO)NCc1cnc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)[nH]c2c1.
What is the InChIKey of N-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
The InChIKey is FEYVCVUXMWBRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3/c1-12(11-28)23-9-13-7-17-20(24-10-13)27-19(26-17)15-8-14(4-5-16(15)22)25-21(29)18-3-2-6-30-18/h2-8,10,12,23,28H,9,11H2,1H3,(H,25,29)(H,24,26,27).
What are the key properties of N-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide?
N-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide has a molecular weight of 425.88 g/mol, XLogP of 3.59, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[6-[(1-hydroxypropan-2-ylamino)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 123153716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).